2010 - Fellow of Alfred P. Sloan Foundation
John M. Herbert mostly deals with Atomic physics, Density functional theory, Electronic structure, Excited state and Excitation. His research in Atomic physics intersects with topics in Electron, Aqueous solution and Intermolecular force. His Density functional theory study combines topics from a wide range of disciplines, such as Water cluster, Quantum chemistry and Coupled cluster.
His work carried out in the field of Electronic structure brings together such families of science as Basis function, Basis set, Wave function and Ab initio quantum chemistry methods. His Basis function research incorporates elements of Algorithm and Geminal. In his research on the topic of Orbital-free density functional theory, Statistical physics is strongly related with Implicit solvation.
His primary scientific interests are in Atomic physics, Density functional theory, Quantum mechanics, Excited state and Electron. John M. Herbert interconnects Ab initio quantum chemistry methods, Valence, Charge, Electronic structure and Basis set in the investigation of issues within Atomic physics. His studies deal with areas such as Excitation, Molecular orbital and Potential energy as well as Density functional theory.
In general Quantum mechanics, his work in Density matrix, Quantum chemistry and Wave function is often linked to Basis linking many areas of study. His work deals with themes such as Molecular physics, Ab initio, Relaxation and Ground state, which intersect with Excited state. His Electron research is multidisciplinary, incorporating elements of Chemical physics, Solvated electron, Water cluster, Pseudopotential and Binding energy.
John M. Herbert spends much of his time researching Chemical physics, Quantum chemistry, Molecular physics, Implicit solvation and Electrostatics. John M. Herbert combines subjects such as Supramolecular chemistry, Intermolecular force, London dispersion force, Density functional theory and Absorption spectroscopy with his study of Chemical physics. His Density functional theory research incorporates themes from Spectral line and Optoelectronics, Band gap.
John M. Herbert has included themes like Excited state, Ab initio and Electron in his Molecular physics study. John M. Herbert works mostly in the field of Excited state, limiting it down to topics relating to Thin film and, in certain cases, Charge. The various areas that John M. Herbert examines in his Ion study include Electronic structure and Statistical physics.
The scientist’s investigation covers issues in Electronic structure, Quantum chemistry, Chemical physics, Ab initio quantum chemistry methods and Cluster. His Electronic structure study integrates concerns from other disciplines, such as Ion, Solvation, Poisson–Boltzmann equation and Statistical physics. His Quantum chemistry research includes themes of Particle, Delocalized electron, Conformational isomerism, Aqueous solution and Absorption spectroscopy.
John M. Herbert has researched Chemical physics in several fields, including Supramolecular chemistry, London dispersion force, Coronene, Binding energy and Molecular orbital. The concepts of his Ab initio quantum chemistry methods study are interwoven with issues in Fragment molecular orbital, Theoretical computer science and Parallelizable manifold. His studies in Cluster integrate themes in fields like Chemical substance, Computational physics and Force field.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann.
Physical Chemistry Chemical Physics (2006)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states
Mary A. Rohrdanz;Katie M. Martins;John M. Herbert.
Journal of Chemical Physics (2009)
Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory.
Mary A. Rohrdanz;John M. Herbert.
Journal of Chemical Physics (2008)
Both Intra-and Interstrand Charge-Transfer Excited States in Aqueous B-DNA Are Present at Energies Comparable To, or Just Above, the 1ππ* Excitonic Bright States
Adrian W. Lange;John M. Herbert.
Journal of the American Chemical Society (2009)
A generalized many-body expansion and a unified view of fragment-based methods in electronic structure theory.
Ryan M. Richard;John M. Herbert.
Journal of Chemical Physics (2012)
Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory
Adrian W. Lange;Mary A. Rohrdanz;John M. Herbert.
Journal of Physical Chemistry B (2008)
A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: the switching/Gaussian approach.
Adrian W. Lange;John M. Herbert.
Journal of Chemical Physics (2010)
Time-Dependent Density-Functional Description of the (1)La State in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?
Ryan M. Richard;John M. Herbert.
Journal of Chemical Theory and Computation (2011)
Calculation of Electron Detachment Energies for Water Cluster Anions: An Appraisal of Electronic Structure Methods, with Application to (H2O)20- and (H2O)24-
John M. Herbert;Martin Head-Gordon.
Journal of Physical Chemistry A (2005)
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